HRID175612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9886

Hexafluorophosphate ion

F6P-

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID14853195

2-Amino-2-(4-chlorophenyl)ethan-1-ol

C8H10ClNO

结构：CC(C)(C)OC(=O)NC1(C(=O)O)CCN(c2ncnc3[nH]ccc23)CC1

HCID57750394

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(C(=O)NC(CO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1

HCID57750378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7540bdf6c3f048faaa8adc5917b0e342
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[NH:32][C:33]1([C:48](=[O:49])[OH:50])[CH2:34][CH2:35][N:36]([c:39]2[c:40]3[c:41]([n:42][cH:43][n:44]2)[nH:45][cH:46][cH:47]3)[CH2:37][CH2:38]1.[CH2:51]([N:52]([CH:53]([CH3:54])[CH3:55])[CH:56]([CH3:57])[CH3:58])[CH3:59].[CH3:71][N:72]1[CH2:73][CH2:74][CH2:75][C:76]1=[O:77].[NH2:60][CH:61]([CH2:62][OH:63])[c:64]1[cH:65][cH:66][c:67]([Cl:70])[cH:68][cH:69]1.[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[C:25]([CH3:26])([CH3:27])([CH3:28])[O:29][C:30](=[O:31])[NH:32][C:33]1([C:48](=[O:50])[NH:60][CH:61]([CH2:62][OH:63])[c:64]2[cH:65][cH:66][c:67]([Cl:70])[cH:68][cH:69]2)[CH2:34][CH2:35][N:36]([c:39]2[c:40]3[c:41]([n:42][cH:43][n:44]2)[nH:45][cH:46][cH:47]3)[CH2:37][CH2:38]1